S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯
TL;DR: S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯 (CAS 88382-46-1) is a chemical compound with molecular formula C7H11NO3S and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯
3-(prop-2-enylcarbamoylsulfanyl)propanoic acid
Also Known As: 3-((Allylcarbamoyl)thio)propanoic acid, 3-[(prop-2-en-1-ylcarbamoyl)sulfanyl]propanoic acid, 3-allylcarbamoylsulfanyl-propionic acid, 3-(prop-2-enylcarbamoylsulfanyl)propanoic acid, S-(2-CARBOXYETHYL) N-ALLYLTHIOCARBAMATE
| Molecular Formula | C7H11NO3S |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 189.04596 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 88382-46-1 |
|---|---|
| SMILES | C=CCNC(=O)SCCC(=O)O |
| InChIKey | GDEQRGWSOAGQOB-UHFFFAOYSA-N |
Product Overview
S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯 (CAS 88382-46-1), with molecular formula C7H11NO3S and molecular weight 189.05 g/mol. IUPAC: 3-(prop-2-enylcarbamoylsulfanyl)propanoic acid.
Chemical Property Profile of S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯
Property Insights of S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯. Following Lipinski's Rule of Five, S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯?
The CAS number of S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯 is 88382-46-1.
What is the molecular formula of S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯?
The molecular formula of S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯 is C7H11NO3S.
What is the molecular weight of S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯?
The molecular weight of S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯 is 189.05 g/mol.
Where can I buy S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯?
You can request a quote for S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for S-(2-羧乙基)N-烯丙基硫代氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.